Home Nitriles thiomorpholine-3-carbonitrile

thiomorpholine-3-carbonitrile

CAS No.:
1206228-78-5
Catalog Number:
AG01A4JL
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
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Product Description
Catalog Number:
AG01A4JL
Chemical Name:
thiomorpholine-3-carbonitrile
CAS Number:
1206228-78-5
Molecular Formula:
C5H8N2S
Molecular Weight:
128.1954
MDL Number:
MFCD23701898
IUPAC Name:
thiomorpholine-3-carbonitrile
InChI:
InChI=1S/C5H8N2S/c6-3-5-4-8-2-1-7-5/h5,7H,1-2,4H2
InChI Key:
SYLUMQBLQRVEPK-UHFFFAOYSA-N
SMILES:
C1SCCNC1C#N
Properties
Complexity:
115  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.041g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
128.193g/mol
Monoisotopic Mass:
128.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties